Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKSKEHDFHLVDSSPWPIAMSAAIFILVLGLVGTLHKQVSGIFGLVLGTSAVSGVLFYWWKDVVKEAIYDKCHTAIVKHGLKFAMYLFILSEVVFFIVFFCSFFKAWLDPVFLFETFSPTKKVKWPPEGILLPDPWSLPFMNTLILLLSGTTITWAHHSLFKDDKKSMIKMLYITILLGVFFVIVQAIEYHETSFSLQEAGIYASNFYMITGFHCAHVIIGIIFLSVCLFRARKDQFTPQDHLCFEFASWYWHFVDIVWIFLFVFVYWLSVF
3ABL Chain:C ((3-258))
--HQTHAYHMVNPSPWPLTGALSALLMTSGLTMWFHFNSMTLLMIGLTTNMLT--MYQWWRDVIRESTFQGHHTPAVQKGLRYGMILFIISEVLFFTGFFWAFYHSSLAP-------TPELGGCWPPTGIHPLNPLEVPLLNTSVLLASGVSITWAHHSLMEGDRKHMLQALFITITLGVYFTLLQASEYYEAPFTISD-GVYGSTFFVATGFHGLHVIIGSTFLIVCFFRQLKFHFTSNHHFGFEAAAWYWHFVDVVWLFLYVSIYWWGS-
General information:
TITO was launched using:
RESULT:
Template:
3ABL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -223985 for 1828 contacts (-122.5/contact) +
2D Compatibility (PS) -26496 + (NN) -15351 + (LL) 1532
1D Compatibility (HY) -29200 + (ID) 5750
Total energy: -299250.0 ( -163.70 by residue)
QMean score : 0.330
(partial model without unconserved sides chains):
PDB file :
Tito_3ABL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3ABL-query.scw
PDB file :
Tito_Scwrl_3ABL.pdb
: